2-METHOXY-5-NITROBENZYL BROMIDE(3913-23-3) IR2
Product Name2-METHOXY-5-NITROBENZYL BROMIDE
CAS3913-23-3
Molecular FormulaC8H8BrNO3
Molecular Weight246.06
InChIInChI=1S/C8H8BrNO3/c1-13-8-3-2-7(10(11)12)4-6(8)5-9/h2-4H,5H2,1H3
InChIKey JRHMPHMGOGMNDU-UHFFFAOYSA-N
SmilesC1(OC)=CC=C([N+]([O-])=O)C=C1CBr
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MassMS-NW-6847 2-bromomethyl-4-nitroanisole C8H8BrNO3 (Mass of molecular ion: 245)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.0 27.0 1.0 30.0 5.4 38.0 1.5 39.0 3.4 50.0 4.4 51.0 11.4 52.0 1.3 53.0 1.0 62.0 1.7 63.0 4.2 64.0 1.3 65.0 3.1 74.0 1.3 75.0 1.3 76.0 1.8 77.0 8.5 78.0 8.0 79.0 1.6 89.0 9.4 90.0 18.7 91.0 6.0 92.0 1.8 93.0 1.1 105.0 4.5 106.0 2.0 108.0 1.6 120.0 8.4 121.0 1.0 136.0 12.3 137.0 1.4 150.0 2.0 166.0 100.0 167.0 9.7 168.0 1.1 245.0 2.9 247.0 2.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H8 Br N O3 0.041 g : 0.5 ml CDCl3 2-bromomethyl-4-nitroanisole 
Assign. Shift(ppm)
A 8.258 B 8.219 C 6.971 D 4.539 E 4.022
Hz ppm Int.3302.25 8.263 134 3299.44 8.256 186 3290.41 8.234 124 3287.60 8.227 80 3281.37 8.211 117 3278.56 8.204 91 2790.65 6.983 144 2781.62 6.961 140 1814.09 4.540 584 1607.67 4.023 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
